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1-(4-isopropoxy-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid

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1-(4-isopropoxy-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
SpectraBase Compound ID 649Ryx5nhU9
InChI InChI=1S/C22H24N2O4/c1-12(2)28-18-9-8-13(10-19(18)27-3)20-21-15(11-17(24-20)22(25)26)14-6-4-5-7-16(14)23-21/h4-10,12,17,20,23-24H,11H2,1-3H3,(H,25,26)
InChIKey XSQRHECHQUSESB-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C22H24N2O4
Exact Mass 380.173607 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5JcEbTO8tkD
Name 1-(4-isopropoxy-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H24N2O4/c1-12(2)28-18-9-8-13(10-19(18)27-3)20-21-15(11-17(24-20)22(25)26)14-6-4-5-7-16(14)23-21/h4-10,12,17,20,23-24H,11H2,1-3H3,(H,25,26)
InChIKey XSQRHECHQUSESB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9641
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1001633; UBI_ID: UBI-009644
Temperature 313 °C